[3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-4-oxidanyl-cyclohexyl] 4-methylbenzoate

Systemtic Name: [3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-4-oxidanyl-cyclohexyl] 4-methylbenzoate Openeye Name: [3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] ester IUPAC Name: [3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2CCC(C(C2)CN(C)C)(C3=CC(=CC=C3)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2CCC(C(C2)CN(C)C)(C3=CC(=CC=C3)OC)O

InChI

InChI=1S/C24H31NO4/c1-17-8-10-18(11-9-17)23(26)29-22-12-13-24(27,20(15-22)16-25(2)3)19-6-5-7-21(14-19)28-4/h5-11,14,20,22,27H,12-13,15-16H2,1-4H3